LaMg7

传统材料 TRA

MP-ID: mp-1016316 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

LaMg7

MP-ID

mp-1016316

Elements

Sites

Density

2.4879

g/cm³

Volume

206.27

Å³

Cell a

6.7559

Cell b

6.7559

Cell c

5.2185

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
15.14	5.8508	56.9	(1,0,-1,0)
16.99	5.2185	15.6	(0,0,0,1)
22.83	3.8944	50.0	(1,0,-1,1)
26.38	3.3779	11.1	(2,-1,-1,0)
26.38	3.3779	5.6	(1,1,-2,0)
30.56	2.9254	32.0	(2,0,-2,0)
31.55	2.8357	20.9	(2,-1,-1,1)
34.37	2.6092	22.8	(0,0,0,2)
35.17	2.5518	100.0	(2,0,-2,1)
37.75	2.3830	12.2	(1,0,-1,2)
40.81	2.2114	11.7	(3,-1,-2,0)
43.84	2.0649	8.6	(2,-1,-1,2)
44.50	2.0361	14.6	(3,-1,-2,1)
46.57	1.9503	1.2	(3,-3,0,0)
46.57	1.9503	2.4	(3,0,-3,0)
46.65	1.9472	19.5	(2,0,-2,2)
49.92	1.8269	6.0	(3,0,-3,1)
54.32	1.6890	17.7	(4,-2,-2,0)
54.38	1.6870	10.1	(3,-1,-2,2)
55.08	1.6674	4.6	(1,0,-1,3)
56.73	1.6227	1.3	(4,-3,-1,0)
56.73	1.6227	2.5	(4,-1,-3,0)
57.34	1.6069	2.6	(4,-2,-2,1)
57.34	1.6069	1.3	(2,2,-4,1)

Get direct link

Energy Properties

Formation Energy/atom

0.04581

eV/atom

Energy/atom

-1.99785

eV/atom

Energy above Hull

0.1008

eV/atom

Uncorrected Energy

-1.9979

eV/atom

Volume/atom

25.78

Å³

c/a Ratio

0.7724

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0052

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.795

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvoy aaacfvvh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016316

Reference Citation

The crystal structure and related material properties of LaMg7 were obtained from the Materials Project database (MP-ID: mp-1016316, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_LaMg7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75588249
_cell_length_b   6.75588249
_cell_length_c   5.21845000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg7
_chemical_formula_sum   'La1 Mg7'
_cell_volume   206.27011518
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.66666700  0.33333300  0.50000000  1.0
  Mg  Mg1  1  0.16239700  0.32479500  0.50000000  1.0
  Mg  Mg2  1  0.67520500  0.83760300  0.50000000  1.0
  Mg  Mg3  1  0.16239700  0.83760300  0.50000000  1.0
  Mg  Mg4  1  0.83893500  0.16106500  0.00000000  1.0
  Mg  Mg5  1  0.32213100  0.16106500  0.00000000  1.0
  Mg  Mg6  1  0.83893500  0.67786900  0.00000000  1.0
  Mg  Mg7  1  0.33333300  0.66666700  0.00000000  1.0

Get direct link